Entry
Name
Acadesine (USAN/INN)
Formula
C9H14N4O5
Exact mass
258.0964
Mol weight
258.2313
Structure
Mol file KCF file DB search
Simcomp
Neighbor
Remark
Efficacy
Antineoplastic, Platelet aggregation inhibitor
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303 ]
C CARDIOVASCULAR SYSTEM
C01 CARDIAC THERAPY
C01E OTHER CARDIAC PREPARATIONS
C01EB Other cardiac preparations
C01EB13 Acadesine
D02742 Acadesine (USAN/INN)
BRITE hierarchy
Other DBs
KCF data
Show ATOM 18
1 C1y C 26.5608 -19.4922
2 C1y C 26.9833 -18.1544
3 C1y C 25.1526 -19.4922
4 O2x O 25.8567 -17.3095
5 N4y N 28.1098 -17.4503
6 C1y C 24.7301 -18.1544
7 O1a O 27.2649 -20.6892
8 O1a O 24.4485 -20.6892
9 C1b C 23.4627 -17.4503
10 O1a O 22.2658 -18.1544
11 C8y C 29.4283 -17.8959
12 C8y C 30.2715 -16.7783
13 N5x N 29.4692 -15.6310
14 C8x C 28.1301 -16.0396
15 C5a C 31.6400 -16.8035
16 N1a N 29.8456 -19.2472
17 O5a O 32.3637 -15.6016
18 N1a N 32.3161 -18.0259
BOND 19
1 1 2 1
2 1 3 1
3 2 4 1
4 2 5 1 #Up
5 3 6 1
6 4 6 1
7 1 7 1 #Down
8 3 8 1 #Down
9 9 10 1
10 6 9 1 #Up
11 5 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 5 14 1
16 12 15 1
17 11 16 1
18 15 17 2
19 15 18 1